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Compound Detail

CHEMBL3422509

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O=C(CCCN=C=S)Oc1c(Br)cc(Br)cc1CNC(=O)c1ccccc1[N+](=O)[O-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3422509
Phase Preclinical
Structure Type MOL
InChI Key ZZWGWZIWPWVTGD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

557.2
MW (Da)
4.84
ALogP
7
HBA
1
HBD
110.9
PSA (Ų)
0.09
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H15Br2N3O5S
MW 557.22
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.94

Literature References

PubMed DOI Target Context # Activities
25699144 10.1021/ml500459f Pseudomonas aeruginosa 1
25699144 10.1021/ml500459f Transcriptional activator protein LasR 1
25699144 10.1021/ml500459f Unchecked 1

Data from ChEMBL 36 via Core Engine